pyritinol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
2333 1098-97-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • pyritinol
  • bonifen
  • dipyridoxolyl disulfide
  • encefabol
  • piritinol
  • pyridoxine disulfide
  • pyrithioxin
  • Vitamin B6 disulfide
A neurotropic agent which reduces permeability of blood-brain barrier to phosphate. It has no vitamin B6 activity.
  • Molecular weight: 368.47
  • Formula: C16H20N2O4S2
  • CLOGP: 1.75
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 4
  • TPSA: 106.70
  • ALOGS: -3.20
  • ROTB: 7

Drug dosage:

DoseUnitRoute
0.60 g O

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.156 Moderate 0.75
caco2-efflux Caco-2 efflux ratio (BA/AB) 2.506 Moderate 0.75
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 12.589 10^-6 cm/s Moderate 0.75
dh-clint Dog hepatocyte intrinsic clearance 30.339 uL/min/10^6 cells Moderate 0.75
dppb Dog plasma protein binding (% unbound) 19.460 % Moderate 0.75
fcs-ppb Fetal calf serum protein binding (% unbound) 13.820 % Moderate 0.75
herg hERG pIC50 4.237 pIC50 Moderate 0.75
hh-clint Human hepatocyte intrinsic clearance 28.119 uL/min/10^6 cells Moderate 0.75
hlm-clint Human liver microsomal intrinsic clearance 26.002 uL/min/mg protein Moderate 0.75
hppb Human plasma protein binding (% unbound) 8.850 % Moderate 0.75
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 46
kinase-selectivity-class GRK2,MAP2K6,PRKDC 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 5.495 Moderate 0.75
mh-clint Mouse hepatocyte intrinsic clearance 340.408 Moderate 0.75
mppb Mouse plasma protein binding (% unbound) 16.960 Moderate 0.75
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 6.653 Moderate 0.75
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 19.490 % Moderate 0.75
rh-clint Rat hepatocyte intrinsic clearance 110.662 uL/min/10^6 cells Moderate 0.75
rh-fuinc Rat hepatocyte fraction unbound in incubation 90.100 % Moderate 0.75
rppb Rat plasma protein binding (% unbound) 6.530 % Moderate 0.75
solubility-dd Solubility at pH 7.4 in DMSO 719.449 uM Moderate 0.75

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC N06BX02 NERVOUS SYSTEM
PSYCHOANALEPTICS
PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Other psychostimulants and nootropics
CHEBI has role CHEBI:35469 antidepressant
CHEBI has role CHEBI:35474 anxiolytic drug
CHEBI has role CHEBI:35476 antipsychotic agent

Related Drugs by ATC class:

N06BX Other psychostimulants and nootropics 19 drugs
acetylcarnitineadrafinilaniracetamcinnarizineciticolinedeanolfipexideidebenonelinopirdinemeclofenoxatenizofenoneoxiracetam show all 19 →

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.51 acidic
pKa2 9.11 acidic
pKa3 6.21 Basic
pKa4 5.61 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
N0000167222 NUI
C0034295 UMLSCUI
CHEBI:135554 CHEBI
CHEMBL488093 ChEMBL_ID
DB13084 DRUGBANK_ID
14190 PUBCHEM_CID
1308 INN_ID
AK5Q5FZH2R UNII
9020 RXNORM
006159 NDDF
703591006 SNOMEDCT_US
D011746 MESH_DESCRIPTOR_UI

Pharmaceutical products:

None